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NCID-ZINC01756221

 MMsINC code: MMs02364742
Type: Neutral
Formula: C12H27OP
SMILES:   P(=O)(CC(C)C)(CC(C)C)CC(C)C
InChI:   InChI=1/C12H27OP/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.0009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.321 g/mol  logS: -1.29451  SlogP: 3.2473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293992  Sterimol/B1: 2.05378  Sterimol/B2: 4.77517  Sterimol/B3: 4.92628
  Sterimol/B4: 6.53275  Sterimol/L: 11.3794 
 
 Surface and Volume Properties
  Accessible surface: 473.957  Positive charged surface: 346.993  Negative charged surface: 126.964  Volume: 254.375
  Hydrophobic surface: 356.601  Hydrophilic surface: 117.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.